CID 126688495

1-(bromomethyl)-3-fluorocyclobutane

Structural Information

Molecular Formula
C5H8BrF
SMILES
C1C(CC1F)CBr
InChI
InChI=1S/C5H8BrF/c6-3-4-1-5(7)2-4/h4-5H,1-3H2
InChIKey
QMBXRHISFBCMGJ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-fluorocyclobutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

165.97934 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.986616 118.3
[M+Na]+ 188.968558 129.0
[M-H]- 164.972064 123.6
[M+NH4]+ 184.013163 136.7
[M+K]+ 204.942498 122.1
[M+H-H2O]+ 148.976600 114.6
[M+HCOO]- 210.977541 137.8
[M+CH3COO]- 224.993191 180.5
[M+Na-2H]- 186.954006 126.3
[M]+ 165.97879142 141.9
[M]- 165.97988858 141.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe